234
S. Matsumoto and J. Hwang
Table 6.3 Crystallographic parameters of the four polymorphs of QA
Polymorph
α I
β
γ
α II
Space group P-1
P2 1 /c
P2 1 /c
P2 1 /c
Z
1
2
2
2
a/Å
3.802 (1)
5.692 (1)
13.697 (9)
7.1
b/Å
6.612 (3)
3.975 (1)
3.881 (3)
28.4
c/Å
14.485 (6)
30.02 (4)
13.4020 (10)
3.9
α/°
100.68 (8)
90
90
90
β/°
94.40 (6)
96.76 (6)
100.44 (1)
110
γ/°
102.11 (5)
90
90
90
V /Å 3
346.7 (1)
674.5 (9)
700.6 (7)
734
d/g/cm 3
1.493
1.538
1.480
–
Refcode
QNACRD06
QNACRD07
QNACRD08
CCDC
1425922
References
Paulus et al. (2007) Paulus et al. (2007) Paulus et al. (2007) Gorelik et al.
(2016)
(a) α I
(b) β
(c) γ
(d) α II
Fig. 6.6 Molecular geometries of the four polymorphs of QA viewed parallel (upper) and perpendicular (lower) to the QA ring: a α I -form (QNACRD06), b β-form (QNACRD07), c γ-form
(QNACRD08) and d α II -form (CCDC 1425922)
S. Matsumoto and J. Hwang
Table 6.3 Crystallographic parameters of the four polymorphs of QA
Polymorph
α I
β
γ
α II
Space group P-1
P2 1 /c
P2 1 /c
P2 1 /c
Z
1
2
2
2
a/Å
3.802 (1)
5.692 (1)
13.697 (9)
7.1
b/Å
6.612 (3)
3.975 (1)
3.881 (3)
28.4
c/Å
14.485 (6)
30.02 (4)
13.4020 (10)
3.9
α/°
100.68 (8)
90
90
90
β/°
94.40 (6)
96.76 (6)
100.44 (1)
110
γ/°
102.11 (5)
90
90
90
V /Å 3
346.7 (1)
674.5 (9)
700.6 (7)
734
d/g/cm 3
1.493
1.538
1.480
–
Refcode
QNACRD06
QNACRD07
QNACRD08
CCDC
1425922
References
Paulus et al. (2007) Paulus et al. (2007) Paulus et al. (2007) Gorelik et al.
(2016)
(a) α I
(b) β
(c) γ
(d) α II
Fig. 6.6 Molecular geometries of the four polymorphs of QA viewed parallel (upper) and perpendicular (lower) to the QA ring: a α I -form (QNACRD06), b β-form (QNACRD07), c γ-form
(QNACRD08) and d α II -form (CCDC 1425922)